Molecule

ID:126781

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃O₃
Molecular Mass
129.07422
Exact Mass
129.01744097
Charge
0
InChI
InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
InChIKey
ZFSLODLOARCGLH-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]c(=O)[nH]c(=O)[nH]1
Isomeric Smiles
O=c1[nH]c(=O)[nH]c(=O)[nH]1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.65
LogD (pH = 5.5)
-1.31
Log P
-1.03
Rotatable Bonds
0
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
5.55
Polar Surface Area
87.30
Polarizability
9.61
Molar Refractivity
24.73
LOG S
-1.58
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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